Information card for entry 7249632

Structure parameters

• Formula: C55 H57 N9 O5 S2 Zn
• Calculated formula: C55 H57 N9 O5 S2 Zn
• Title of publication: Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates
• Authors of publication: Nath, Jitendra; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 46 - 54
• a: 8.74 ± 0.003 Å
• b: 16.268 ± 0.006 Å
• c: 18.987 ± 0.007 Å
• α: 83.243 ± 0.012°
• β: 85.719 ± 0.013°
• γ: 85.156 ± 0.013°
• Cell volume: 2665.6 ± 1.7 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No